SCHEMBL8729249

SCHEMBL8729249

COC(=O)c1cccc(OC[C]=O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.53
CYSLTR1 Q9Y271 1/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
RAB9A P51151 3/20 0.51
NPC1 O15118 2/20 0.51
POLB P06746 1/20 0.51
BLM P54132 1/20 0.51
TP53 P04637 2/20 0.50
KDM4E B2RXH2 1/20 0.50
LOXL2 Q9Y4K0 1/20 0.50
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
ALDH1A1 P00352 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MAPK1 P28482 2/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL826468 0.88 MRGPRX4 (0.53) MRGPRX4CYSLTR1SMN1; SMN2RAB9ANPC1
SCHEMBL30180651 0.86 MRGPRX4 (0.52) MRGPRX4CYSLTR1SMN1; SMN2RAB9ANPC1
SCHEMBL1339773 0.86 MRGPRX4 (0.52) MRGPRX4CYSLTR1SMN1; SMN2RAB9ANPC1
SCHEMBL644216 0.82 SMN1; SMN2 (0.58) MRGPRX4CYSLTR1SMN1; SMN2RAB9ANPC1
SCHEMBL31442462 0.82 SMN1; SMN2 (0.58) MRGPRX4CYSLTR1SMN1; SMN2RAB9ANPC1
SCHEMBL10774877 0.82 NR4A2 (0.61) MRGPRX4CYSLTR1RAB9ANPC1KMT2A
SCHEMBL18401495 0.81 MRGPRX4 (0.48) MRGPRX4CYSLTR1SMN1; SMN2RAB9ANPC1
SCHEMBL16167223 0.81 GRM5 (0.51) MRGPRX4CYSLTR1SMN1; SMN2RAB9ANPC1
SCHEMBL4978207 0.81 MAPT (0.54) MRGPRX4CYSLTR1SMN1; SMN2RAB9ANPC1
SCHEMBL6003898 0.81 MRGPRX4 (0.56) MRGPRX4CYSLTR1SMN1; SMN2RAB9ANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1998043649-A2 AGE PRODUCTION INHIBITORY COMPOSITION COMPRISING A MAILLARD REACTION INHIBITOR AND VITAMIN B¿6? OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-10-08 WO disclosed
US-5422360-A Hydrazonoimidazolidin-4-one derivatives; treatment of diabetes and aging disorders OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-06-06 US disclosed
EP-0531812-A1 Maillard reaction inhibitor, process for producing it, composition containing it and the use thereof OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-03-17 EP disclosed